2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

C15H20ClN3O — CID 60965369

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C15H20ClN3O/c1-12(13-7-4-5-8-14(13)16)19(3)11-15(20)18(2)10-6-9-17/h4-5,7-8,12H,6,10-11H2,1-3H3
InChIKeyQVDQFSLFEQSYDD-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.70
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 60965369) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID60965369
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C15H20ClN3O/c1-12(13-7-4-5-8-14(13)16)19(3)11-15(20)18(2)10-6-9-17/h4-5,7-8,12H,6,10-11H2,1-3H3
InChIKeyQVDQFSLFEQSYDD-UHFFFAOYSA-N
XLogP2.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 55412917
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)sulfinyl-N-methylacetamide
CID 115477733
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 46527143

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (CID 60965369) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is CC(c1ccccc1Cl)N(C)CC(=O)N(C)CCC#N.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is QVDQFSLFEQSYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12(13-7-4-5-8-14(13)16)19(3)11-15(20)18(2)10-6-9-17/h4-5,7-8,12H,6,10-11H2,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 293.80 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 60965369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).